0  B6R0.4  O=C(O)\C=C\CO HY-100982 [1,0,0,0,0,0|1,0,1]=3
1  B8R0.7  CCCC\C=C\C(=O)O HY-W107869 [0,1,0,0,0,0|0,0,2]=3
2  B8R1.4  CC1=CC(Br)=NC=C1 HY-W007579 [0,0,0,1,0,0|3,0,0]=4
3  B8R1.4  FC1=CC=CC(F)=N1 HY-W012911 [0,0,0,1,0,0|3,0,0]=4
4  B8R1.4  NC1=NC(=O)NC=C1 HY-I0626R [0,0,0,1,0,0|3,0,0]=4
5  B8R1.4  O=[13C]1[13CH]=[13CH]N[13C](=O)N1 HY-I0960S1 [0,0,0,1,0,0|3,0,0]=4
6  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [0,0,0,1,0,0|2,0,0]=3
7  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963 [0,0,0,1,0,0|1,0,0]=2
8  B8R1.7  O=C(O)C1=CNN=C1 HY-W002065 [0,0,0,1,0,0|2,0,1]=4
9  B8R1.7  O=C(O)C1=NN=CN1 HY-107870 [0,0,0,1,0,0|3,0,0]=4
10  B5R0.1  CNCC(=O)O HY-W012791 [2,0,0,0,0,0|1,0,1]=4
11  B5R0.1  C\C=C\C(C)=O HY-34748 [2,0,0,0,0,0|1,0,0]=3
12  B7R0.3  CCC(=O)\C=C\C=O HY-N12851 [1,1,0,0,0,0|2,0,0]=4
13  B7R0.5  C=CC[C@H](N)C(=O)O HY-W012906 [1,1,0,0,0,0|0,0,2]=4
14  B7R0.6  O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [1,1,0,0,0,0|1,0,0]=3
15  B7R1.3  OC1=CC=NC=C1 HY-W007690 [1,0,0,1,0,0|2,0,0]=4
16  B7R1.1  O=CC1=CC=CN1 HY-77817 [1,0,0,1,0,0|1,0,0]=3
17  B7R1.1  O=CC1=COC=C1 HY-76224 [1,0,0,1,0,0|1,0,1]=4
18  B9R1.22  O=C1C=C(Br)\C(=C\Br)O1 HY-131011 [0,1,0,1,0,0|1,0,0]=3
19  B9R1.34  CC1=CC(O)=CC(=O)O1 HY-Y1634 [0,1,0,1,0,0|0,0,0]=2
20  B9R1.34  CC1=CC(O)=CC(O)=C1 HY-W015715 [0,1,0,1,0,0|1,0,0]=3
21  B9R1.34  O[13C]1=[13CH][13C](O)=[13CH][13C](O)=[13CH]1 HY-W777964 [0,1,0,1,0,0|2,0,0]=4
22  B9R1.2  OCC1=CC=CC(O)=C1 HY-78446 [0,1,0,1,0,0|1,0,0]=3
23  B9R1.6  CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [0,1,0,1,0,0|1,0,1]=4
24  B9R1.6  NC(=O)C1=NC=CN=C1 HY-B0271R [0,1,0,1,0,0|2,0,0]=4
25  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [0,1,0,1,0,0|1,0,1]=4
26  B9R1.35  CC1=CC(C(=O)O)=NN1 HY-33009 [0,1,0,1,0,0|2,0,0]=4
27  B9R1.69  CC1=CC(O)=C(O)C=C1 HY-W012814R [0,1,0,1,0,0|1,0,0]=3